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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
2beta-Hydroxy-1beta,4aalpha-dimethyl-8-methylenegibbane-1alpha,10beta-dicarboxylic acid
348.40
3.1
3
5
94.83
2
11-Methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
330.40
3.3
1
4
63.6
1
12,14-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
348.40
0.7
3
6
104.06
1
12-Hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
378.40
0.8
4
7
132.13
3
Gibberellin A23
378.40
0.1
4
7
132.13
3
(1S,2S,3S,4S,5S,8R,9R,12S)-8-Formyl-5,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
378.40
0.1
4
7
132.13
3
8-Formyl-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
346.40
2.3
2
5
91.67
3
(1R,11R,13S)-16,17-dimethoxy-22-methyl-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaen-11-ol
385.40
2
1
7
69.62
2
(1S,4R,5R,6R,7S,8R,11R,13S,16S,17S,18S,19R)-4,5,8,16,17-pentahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
396.40
-1.2
5
8
136.68
0
(1S,2S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol
214.21
-0.6
4
5
90.15
4
erythro-Guaiacylglycerol
214.21
-0.6
4
5
90.15
4
30-Hydroxy-11-oxo-beta-amyrin
456.70
6.5
2
3
57.53
1
CID 12310320
518.60
1.8
3
8
114.68
1
1-Amidino-3-(3-carboxypropyl)urea
188.18
-1.1
4
3
130.8
4
2-(3,4-Dihydroxyphenyl)-3,5,8-trihydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
480.40
0
9
13
230.74
4
Neoodorobioside
696.80
1
6
13
193.83
7
Grandiflorenic acid
300.40
4.6
1
2
37.3
1
Hautriwaic acid
332.40
4.2
2
4
70.67
5
Hecogenone
428.60
4.4
0
4
52.6
0
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10,16-dione
428.60
4.4
0
4
52.6
0
Hederagonic acid
470.70
6.5
2
4
74.6
2
(4aS,6aR,6aS,6bR,8aR,9S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
470.70
6.5
2
4
74.6
2
(3aR,5R,5aS,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
262.30
1.4
1
4
63.6
0
4-Epiisoinuviscolide
248.32
1.6
1
3
46.53
0
CID 12310408
362.40
1.9
1
6
85.36
3
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